Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
1.6496 4.6941 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 3.9021 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 3.6043 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5393 2.2216 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1407 1.4954 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 2.1301 -1.2236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 0.0168 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9073 -0.1127 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4436 -1.4624 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6687 -2.4400 -0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7948 -1.7115 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3649 -2.9945 -0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9606 -3.9265 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8536 -4.4817 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 -0.7037 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7255 -0.4429 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2155 0.6391 1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -1.3424 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0153 -1.0922 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 0.1277 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9935 1.1436 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0991 -0.3922 -1.6723 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 5.1161 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6988 4.9179 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8382 3.4661 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6471 3.8842 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8029 4.2387 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.3453 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2835 0.5766 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1770 -3.4467 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4651 -2.8550 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9164 -4.1689 0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9236 -4.2818 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5318 -5.1624 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0998 -1.7784 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1245 -0.3154 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4188 -0.9676 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5210 -1.9819 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0624 0.1841 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2582 2.0501 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2719 1.0646 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 0.2422 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers